Geometry & MOs

Info

ID:

328529

PubChem CID:

126724215

Reduced:

N11O14C63H109 (1)

Stoich.:

A11B14C63D109 (1)

Weight, g/mol:

527.988642

ΔHf, kcal/mol:

-604.94

Dipole, Da:

7.92

IP(EA), eV:

 -7.5(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-[[2-[hydroxy(methoxy)methyl]thiophen-3-yl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N2[C@@H](C(=O)N([C@H](C(=O)N([C@@H](CC2C)C(=O)N([C@H](C(=O)N([C@@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)[C@@H](C)OCCCC=O)C)C

DOS

IR

Vibrations